Predicting the binding mode of known NCp7 inhibitors to facilitate the design of novel modulators.

Mori, Mattia; Manetti, Fabrizio; Botta, Maurizio

Mori, Mattia; Manetti, Fabrizio; Botta, Maurizio.

Affiliation

Mori M; Dipartimento Farmaco Chimico Tecnologico, University of Siena, Siena, Italy.

J Chem Inf Model ; 51(2): 446-54, 2011 Feb 28.

Article in En | MEDLINE | ID: mdl-21171587

Subject(s)

Computational Biology/methods; Drug Design; gag Gene Products, Human Immunodeficiency Virus/antagonists & inhibitors; gag Gene Products, Human Immunodeficiency Virus/metabolism; Base Sequence; Binding Sites; DNA, Viral/genetics; DNA, Viral/metabolism; Drug Evaluation, Preclinical; Ligands; Molecular Dynamics Simulation; Protein Conformation; RNA, Viral/genetics; RNA, Viral/metabolism; Reproducibility of Results; Structure-Activity Relationship; Thermodynamics; User-Computer Interface; gag Gene Products, Human Immunodeficiency Virus/chemistry

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Full text: 1 Database: MEDLINE Main subject: Drug Design / Computational Biology / Gag Gene Products, Human Immunodeficiency Virus Type of study: Prognostic_studies / Risk_factors_studies Language: En Journal: J Chem Inf Model Year: 2011 Type: Article Affiliation country: Italy

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